Structural parameters of glycine zwitterion hydration from the data of the integral equation method in the RISM approach
作者： M. V. Fedotova , S. E. Kruchinin
DOI: 10.1134/S0036024412120084
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摘要: The structural parameters of glycine zwitterion in water were studied by means the integral equation method framework RISM approximation. According to calculations, five molecules are located nearest environment -NH3+ group, and two them H-bonded with this group. At same time, six −COO− three average number first hydration shell −CH2 group is four. It has been shown that probability hydrogen bond formation between atom H1 −NH3+ low, there no H-bonding nitrogen
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